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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy | |
| Cation | Neutral | Difference | Vertical | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
| Hartrees | -113.6373977 | -114.0185335 | 0.3811358 | 0.0000000 | 114.0185335 | ||||||
| cm-1 | 5268.3 | 5620.9 | -352.6 | ||||||||
| eV | -3092.231 | 0.653 | -3091.578 | -3102.602 | 0.697 | -3101.905 | 10.371 | -0.044 | 10.328 | 0.000 | 3102.602 |